2-chloro-4,6-dimethyl-N-[(3R)-3-[4-[1H-pyrazol-5-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4,6-trimethylpyridine-3-carboxamide;methane

C133H178Cl7N33O13S5 — CID 159038817

IUPAC2-chloro-4,6-dimethyl-N-[(3R)-3-[4-[1H-pyrazol-5-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4,6-trimethylpyridine-3-carboxamide;methane
SMILESC.Cc1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)Nc3ccn[nH]3)CC2)c(Cl)n1.Cc1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)Nc3onc(C)c3C)CC2)c(C)n1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NN2CCOCC2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ncn[nH]2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2onc(C)c2C)CC1
InChIInChI=1S/C29H40N6O3S.C27H34Cl2N6O3S.C26H36Cl2N6O3S.C26H34ClN7O2S.C24H30Cl2N8O2S.CH4/c1-18-15-19(2)31-23(6)26(18)27(36)30-11-7-20(3)34-12-8-25(9-13-34)35(16-24-10-14-39-17-24)29(37)32-28-21(4)22(5)33-38-28;1-16-13-22(28)31-24(29)23(16)25(36)30-9-5-17(2)34-10-6-21(7-11-34)35(14-20-8-12-39-15-20)27(37)32-26-18(3)19(4)33-38-26;1-18-15-22(27)30-24(28)23(18)25(35)29-7-3-19(2)32-8-4-21(5-9-32)34(16-20-6-14-38-17-20)26(36)31-33-10-12-37-13-11-33;1-17-14-18(2)30-24(27)23(17)25(35)28-9-4-19(3)33-11-6-21(7-12-33)34(15-20-8-13-37-16-20)26(36)31-22-5-10-29-32-22;1-15-11-19(25)30-21(26)20(15)22(35)27-7-3-16(2)33-8-4-18(5-9-33)34(12-17-6-10-37-13-17)24(36)31-23-28-14-29-32-23;/h10,14-15,17,20,25H,7-9,11-13,16H2,1-6H3,(H,30,36)(H,32,37);8,12-13,15,17,21H,5-7,9-11,14H2,1-4H3,(H,30,36)(H,32,37);6,14-15,17,19,21H,3-5,7-13,16H2,1-2H3,(H,29,35)(H,31,36);5,8,10,13-14,16,19,21H,4,6-7,9,11-12,15H2,1-3H3,(H,28,35)(H2,29,31,32,36);6,10-11,13-14,16,18H,3-5,7-9,12H2,1-2H3,(H,27,35)(H2,28,29,31,32,36);1H4/t20-;17-;2*19-;16-;/m11111./s1
InChIKeyJVUCGPSWYJZMFR-XIMIKOLMSA-N
MW2855.61 g/mol
LogP25.70
Rot. Bonds45

About 2-chloro-4,6-dimethyl-N-[(3R)-3-[4-[1H-pyrazol-5-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4,6-trimethylpyridine-3-carboxamide;methane

2-chloro-4,6-dimethyl-N-[(3R)-3-[4-[1H-pyrazol-5-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4,6-trimethylpyridine-3-carboxamide;methane (PubChem CID 159038817) has the molecular formula C133H178Cl7N33O13S5 and a molecular weight of 2855.61 g/mol. Its IUPAC name is 2-chloro-4,6-dimethyl-N-[(3R)-3-[4-[1H-pyrazol-5-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4,6-trimethylpyridine-3-carboxamide;methane.

Molecular Properties

Compound Name2-chloro-4,6-dimethyl-N-[(3R)-3-[4-[1H-pyrazol-5-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4,6-trimethylpyridine-3-carboxamide;methane
PubChem CID159038817
Molecular FormulaC133H178Cl7N33O13S5
Molecular Weight2855.61 g/mol
Exact Mass2850.07
IUPAC Name2-chloro-4,6-dimethyl-N-[(3R)-3-[4-[1H-pyrazol-5-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4,6-trimethylpyridine-3-carboxamide;methane
SMILESC.Cc1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)Nc3ccn[nH]3)CC2)c(Cl)n1.Cc1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)Nc3onc(C)c3C)CC2)c(C)n1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NN2CCOCC2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ncn[nH]2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2onc(C)c2C)CC1
InChIInChI=1S/C29H40N6O3S.C27H34Cl2N6O3S.C26H36Cl2N6O3S.C26H34ClN7O2S.C24H30Cl2N8O2S.CH4/c1-18-15-19(2)31-23(6)26(18)27(36)30-11-7-20(3)34-12-8-25(9-13-34)35(16-24-10-14-39-17-24)29(37)32-28-21(4)22(5)33-38-28;1-16-13-22(28)31-24(29)23(16)25(36)30-9-5-17(2)34-10-6-21(7-11-34)35(14-20-8-12-39-15-20)27(37)32-26-18(3)19(4)33-38-26;1-18-15-22(27)30-24(28)23(18)25(35)29-7-3-19(2)32-8-4-21(5-9-32)34(16-20-6-14-38-17-20)26(36)31-33-10-12-37-13-11-33;1-17-14-18(2)30-24(27)23(17)25(35)28-9-4-19(3)33-11-6-21(7-12-33)34(15-20-8-13-37-16-20)26(36)31-22-5-10-29-32-22;1-15-11-19(25)30-21(26)20(15)22(35)27-7-3-16(2)33-8-4-18(5-9-33)34(12-17-6-10-37-13-17)24(36)31-23-28-14-29-32-23;/h10,14-15,17,20,25H,7-9,11-13,16H2,1-6H3,(H,30,36)(H,32,37);8,12-13,15,17,21H,5-7,9-11,14H2,1-4H3,(H,30,36)(H,32,37);6,14-15,17,19,21H,3-5,7-13,16H2,1-2H3,(H,29,35)(H,31,36);5,8,10,13-14,16,19,21H,4,6-7,9,11-12,15H2,1-3H3,(H,28,35)(H2,29,31,32,36);6,10-11,13-14,16,18H,3-5,7-9,12H2,1-2H3,(H,27,35)(H2,28,29,31,32,36);1H4/t20-;17-;2*19-;16-;/m11111./s1
InChIKeyJVUCGPSWYJZMFR-XIMIKOLMSA-N
XLogP25.70
TPSA522.63 Ų
H-Bond Donors12
H-Bond Acceptors34
Rotatable Bonds45
Heavy Atoms191
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002855.61
LogP ≤ 525.70
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-4,6-dimethyl-N-[(3R)-3-[4-[1H-pyrazol-5-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4,6-trimethylpyridine-3-carboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethyl-N-[(3R)-3-[4-[1H-pyrazol-5-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4,6-trimethylpyridine-3-carboxamide;methane?
The IUPAC name of 2-chloro-4,6-dimethyl-N-[(3R)-3-[4-[1H-pyrazol-5-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4,6-trimethylpyridine-3-carboxamide;methane (CID 159038817) is 2-chloro-4,6-dimethyl-N-[(3R)-3-[4-[1H-pyrazol-5-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4,6-trimethylpyridine-3-carboxamide;methane.
What is the SMILES notation for 2-chloro-4,6-dimethyl-N-[(3R)-3-[4-[1H-pyrazol-5-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4,6-trimethylpyridine-3-carboxamide;methane?
The canonical SMILES for 2-chloro-4,6-dimethyl-N-[(3R)-3-[4-[1H-pyrazol-5-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4,6-trimethylpyridine-3-carboxamide;methane is C.Cc1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)Nc3ccn[nH]3)CC2)c(Cl)n1.Cc1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)Nc3onc(C)c3C)CC2)c(C)n1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NN2CCOCC2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2ncn[nH]2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2onc(C)c2C)CC1.
What is the InChIKey of 2-chloro-4,6-dimethyl-N-[(3R)-3-[4-[1H-pyrazol-5-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4,6-trimethylpyridine-3-carboxamide;methane?
The InChIKey is JVUCGPSWYJZMFR-XIMIKOLMSA-N. The full InChI is InChI=1S/C29H40N6O3S.C27H34Cl2N6O3S.C26H36Cl2N6O3S.C26H34ClN7O2S.C24H30Cl2N8O2S.CH4/c1-18-15-19(2)31-23(6)26(18)27(36)30-11-7-20(3)34-12-8-25(9-13-34)35(16-24-10-14-39-17-24)29(37)32-28-21(4)22(5)33-38-28;1-16-13-22(28)31-24(29)23(16)25(36)30-9-5-17(2)34-10-6-21(7-11-34)35(14-20-8-12-39-15-20)27(37)32-26-18(3)19(4)33-38-26;1-18-15-22(27)30-24(28)23(18)25(35)29-7-3-19(2)32-8-4-21(5-9-32)34(16-20-6-14-38-17-20)26(36)31-33-10-12-37-13-11-33;1-17-14-18(2)30-24(27)23(17)25(35)28-9-4-19(3)33-11-6-21(7-12-33)34(15-20-8-13-37-16-20)26(36)31-22-5-10-29-32-22;1-15-11-19(25)30-21(26)20(15)22(35)27-7-3-16(2)33-8-4-18(5-9-33)34(12-17-6-10-37-13-17)24(36)31-23-28-14-29-32-23;/h10,14-15,17,20,25H,7-9,11-13,16H2,1-6H3,(H,30,36)(H,32,37);8,12-13,15,17,21H,5-7,9-11,14H2,1-4H3,(H,30,36)(H,32,37);6,14-15,17,19,21H,3-5,7-13,16H2,1-2H3,(H,29,35)(H,31,36);5,8,10,13-14,16,19,21H,4,6-7,9,11-12,15H2,1-3H3,(H,28,35)(H2,29,31,32,36);6,10-11,13-14,16,18H,3-5,7-9,12H2,1-2H3,(H,27,35)(H2,28,29,31,32,36);1H4/t20-;17-;2*19-;16-;/m11111./s1.
What are the key properties of 2-chloro-4,6-dimethyl-N-[(3R)-3-[4-[1H-pyrazol-5-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4,6-trimethylpyridine-3-carboxamide;methane?
2-chloro-4,6-dimethyl-N-[(3R)-3-[4-[1H-pyrazol-5-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4,6-trimethylpyridine-3-carboxamide;methane has a molecular weight of 2855.61 g/mol, XLogP of 25.70, 45 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dimethyl-N-[(3R)-3-[4-[1H-pyrazol-5-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[morpholin-4-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(1H-1,2,4-triazol-5-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4,6-trimethylpyridine-3-carboxamide;methane is sourced from PubChem (CID 159038817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).